Crystallography Open Database

Information card for entry 7237236

Preview

Coordinates	7237236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 Bi3 I10 N
Calculated formula	C7 H10 Bi3 I10 N
Title of publication	Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices
Authors of publication	Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2019
Journal volume	7
Journal issue	11
Pages of publication	5957
a	7.653 ± 0.0002 Å
b	27.2277 ± 0.0006 Å
c	14.2784 ± 0.0004 Å
α	90°
β	95.354 ± 0.002°
γ	90°
Cell volume	2962.26 ± 0.13 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237508 (current)	2019-11-24	cif/ Adding structures of 7237234, 7237235, 7237236, 7237237, 7237238, 7237239 via cif-deposit CGI script.	7237236.cif